SCHEMBL7958424

SCHEMBL7958424

O=[N+]([O-])c1ccc(O[C@H]2CCN(c3ccncc3)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 3/20 0.40
ACACB O00763 3/20 0.40
CYP2C19 P33261 1/20 0.40
F10 P00742 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCD O00767 1/20 0.39
MAPK1 P28482 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HSPB1 P04792 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7958334 1.00 MAPT (0.44) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL5634035 1.00 MAPT (0.44) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL7961706 0.93 MAPT (0.46) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL7956459 0.86 MAPT (0.43) MAPTPOLBACACBSCDMAPK1
SCHEMBL7956874 0.83 ACACB (0.49) MAPTALDH1A1CYP2C9POLBACACB
SCHEMBL5632542 0.80 ACACB (0.43) ACACBLIPGHRH3
SCHEMBL7957015 0.80 ACACB (0.41) ACACBLIPGHRH3
SCHEMBL7954744 0.80 FPR2 (0.43) ACACBF10LIPGHRH3
SCHEMBL7961553 0.80 ACACB (0.41) ACACBLIPGHRH3
SCHEMBL7947301 0.80 ACACB (0.41) ACACBLIPGHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed